smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1oncc1C(=O)N[C@@H]1CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C[C@@H]2CCCO[C@@H]12 ZINC001164650415 719320032 /nfs/dbraw/zinc/32/00/32/719320032.db2.gz DJLGOWRDVADOLV-JVLSTEMRSA-N -1 3 459.906 2.674 20 0 JFADHM O=C1COC2(CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC2)CN1Cc1cccnc1 ZINC001164951927 722002722 /nfs/dbraw/zinc/00/27/22/722002722.db2.gz PGIRYTBKXCIVPC-UHFFFAOYSA-N -1 3 455.918 2.757 20 0 JFADHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@H](CSC)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)nc21 ZINC001289639349 1061271002 /nfs/dbraw/zinc/27/10/02/1061271002.db2.gz KNOICDTYILODLK-ZENOOKHLSA-N -1 3 458.540 2.585 20 0 JFADHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@H](CSC)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)nc21 ZINC001289639348 1061271064 /nfs/dbraw/zinc/27/10/64/1061271064.db2.gz KNOICDTYILODLK-XEZPLFJOSA-N -1 3 458.540 2.585 20 0 JFADHM CN(C)C(=O)c1ccnc(NC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)c1 ZINC001306799775 1061291273 /nfs/dbraw/zinc/29/12/73/1061291273.db2.gz QUQBMKDNMOIVPT-UHFFFAOYSA-N -1 3 457.339 2.783 20 0 JFADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@](C)(O)Cn3ccc(C)cc3=O)cc2)cc1 ZINC001290108389 1061836512 /nfs/dbraw/zinc/83/65/12/1061836512.db2.gz DNZQIKCZOBUJCJ-QHCPKHFHSA-N -1 3 455.536 2.656 20 0 JFADHM CCCCNS(=O)(=O)c1cccc(NC(=O)c2cnc3cc(OC)cc(OC)c3c2[O-])c1 ZINC001290297496 1062027053 /nfs/dbraw/zinc/02/70/53/1062027053.db2.gz DPFNJULQAWFSCB-UHFFFAOYSA-N -1 3 459.524 2.876 20 0 JFADHM CC(C)(C)OC(=O)NCCCn1c(C2CC2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001287068245 1062169257 /nfs/dbraw/zinc/16/92/57/1062169257.db2.gz BOGQRCSLTUKNLG-UHFFFAOYSA-N -1 3 470.574 2.738 20 0 JFADHM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCN(c4nccn4C)CC3)cc2)c1C ZINC001294657758 1062202631 /nfs/dbraw/zinc/20/26/31/1062202631.db2.gz ZVMLGKALABJBTA-UHFFFAOYSA-N -1 3 453.568 2.800 20 0 JFADHM CC(C)(C)OC(=O)Nc1ccn(C(C)(C)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC001294673634 1062232035 /nfs/dbraw/zinc/23/20/35/1062232035.db2.gz MUNJGUVRIXAMCQ-UHFFFAOYSA-N -1 3 457.531 2.655 20 0 JFADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cc(I)ccc2F)CC1 ZINC001294673374 1062232234 /nfs/dbraw/zinc/23/22/34/1062232234.db2.gz GABSHZDIPBXKHJ-UHFFFAOYSA-N -1 3 454.239 2.734 20 0 JFADHM CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001294674124 1062233336 /nfs/dbraw/zinc/23/33/36/1062233336.db2.gz ZUNQCABVFYMAGN-NRFANRHFSA-N -1 3 451.523 2.724 20 0 JFADHM C[C@H](CC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001290499051 1062291189 /nfs/dbraw/zinc/29/11/89/1062291189.db2.gz UXIRDSGUGZPPDE-CQSZACIVSA-N -1 3 450.948 2.667 20 0 JFADHM CSc1ccc([O-])c(C(=O)NC[C@H](O)COc2ccc(I)cc2)c1 ZINC001294808675 1062462796 /nfs/dbraw/zinc/46/27/96/1062462796.db2.gz YMHKSKIPYZLZLD-LBPRGKRZSA-N -1 3 459.305 2.888 20 0 JFADHM CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)cn2c1 ZINC001290622639 1062486289 /nfs/dbraw/zinc/48/62/89/1062486289.db2.gz NUDCBRVYJBZBMO-UHFFFAOYSA-N -1 3 459.528 2.983 20 0 JFADHM O=C(N[C@@H]1C=C[C@H](CO)C1)c1cc(S(=O)(=O)[N-]Cc2ccccn2)c(Cl)cc1Cl ZINC001295003985 1062791399 /nfs/dbraw/zinc/79/13/99/1062791399.db2.gz JCGWQGNPJPRBEH-QWHCGFSZSA-N -1 3 456.351 2.534 20 0 JFADHM CN1CC[C@H](NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)[C@@H]1c1ccc(F)cc1 ZINC001295094939 1062927707 /nfs/dbraw/zinc/92/77/07/1062927707.db2.gz PRRMTXBJZUHOOC-JXFKEZNVSA-N -1 3 453.486 2.720 20 0 JFADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CCC[C@H]3C(=O)NC)ccc2C)cc1 ZINC001295166460 1062990766 /nfs/dbraw/zinc/99/07/66/1062990766.db2.gz XYYGNUHGGNTQPI-UXHICEINSA-N -1 3 459.568 2.839 20 0 JFADHM C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]Cc3ccccn3)c(Cl)cc2Cl)C[C@@H]1O ZINC001295793952 1063791313 /nfs/dbraw/zinc/79/13/13/1063791313.db2.gz SNYVQHXNFVAZOA-PXAZEXFGSA-N -1 3 458.367 2.710 20 0 JFADHM CCOC(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)[n-]n1 ZINC001295912738 1063965120 /nfs/dbraw/zinc/96/51/20/1063965120.db2.gz LAIYLXHTHGUHOL-GFCCVEGCSA-N -1 3 454.936 2.913 20 0 JFADHM CCOC(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)n[n-]1 ZINC001295912738 1063965123 /nfs/dbraw/zinc/96/51/23/1063965123.db2.gz LAIYLXHTHGUHOL-GFCCVEGCSA-N -1 3 454.936 2.913 20 0 JFADHM CC[C@@H]1CN(C(=O)[C@H](CCSC)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H]1O ZINC001295995936 1064051803 /nfs/dbraw/zinc/05/18/03/1064051803.db2.gz XEYKFFACBDWBJI-UGFHNGPFSA-N -1 3 455.429 2.623 20 0 JFADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC001296258896 1064524771 /nfs/dbraw/zinc/52/47/71/1064524771.db2.gz VJSIDPXGPVODFB-UHFFFAOYSA-N -1 3 453.930 2.807 20 0 JFADHM CCNC(=O)C1(Cn2c(N3CCN(C(=O)c4ccccc4[O-])CC3)nnc2C(C)(C)C)CCC1 ZINC001296271480 1064539501 /nfs/dbraw/zinc/53/95/01/1064539501.db2.gz RSPGPGDAERYABG-UHFFFAOYSA-N -1 3 468.602 2.550 20 0 JFADHM CC(C)(C(=O)Nc1n[n-]c(-c2ccccn2)n1)S(=O)(=O)c1ccc(Br)cc1 ZINC001291919374 1064541361 /nfs/dbraw/zinc/54/13/61/1064541361.db2.gz MMBHCJPUTNYLQZ-UHFFFAOYSA-N -1 3 450.318 2.820 20 0 JFADHM CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(I)cc1[O-] ZINC001296291359 1064567635 /nfs/dbraw/zinc/56/76/35/1064567635.db2.gz JUFHIYZHPQQEBK-LLVKDONJSA-N -1 3 450.273 2.865 20 0 JFADHM CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CC1(C)CC1 ZINC001292110983 1064817997 /nfs/dbraw/zinc/81/79/97/1064817997.db2.gz POFDQHUIYUGGLA-UHFFFAOYSA-N -1 3 454.575 2.665 20 0 JFADHM CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1CC1(OC)CCCC1 ZINC001292111040 1064818775 /nfs/dbraw/zinc/81/87/75/1064818775.db2.gz RNTUJBYLCGHMKX-UHFFFAOYSA-N -1 3 498.628 2.824 20 0 JFADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCN([C@H]4CCC[C@@H]4O)CC3)cc2)cc1C ZINC001292516439 1065237040 /nfs/dbraw/zinc/23/70/40/1065237040.db2.gz SKDFISNWKACJAQ-GOTSBHOMSA-N -1 3 457.596 2.775 20 0 JFADHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001292563088 1065276047 /nfs/dbraw/zinc/27/60/47/1065276047.db2.gz WOKDNJZBXDYHFH-INIZCTEOSA-N -1 3 452.511 2.617 20 0 JFADHM CC/C=C(/F)C(=O)NCC[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC001292872370 1065581130 /nfs/dbraw/zinc/58/11/30/1065581130.db2.gz QMQMXVAQFOKRBT-QDEBKDIKSA-N -1 3 458.147 2.870 20 0 JFADHM CCc1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001293081737 1065731130 /nfs/dbraw/zinc/73/11/30/1065731130.db2.gz LUIIMTVIOJMVAM-UHFFFAOYSA-N -1 3 494.543 2.669 20 0 JFADHM Cn1c(CCNC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)nc2ccccc21 ZINC001293492891 1066025456 /nfs/dbraw/zinc/02/54/56/1066025456.db2.gz YVYVVXQALMGHCH-UHFFFAOYSA-N -1 3 455.367 2.907 20 0 JFADHM O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001293627048 1066141522 /nfs/dbraw/zinc/14/15/22/1066141522.db2.gz SHUBINCAHNTXEJ-UHFFFAOYSA-N -1 3 450.879 2.900 20 0 JFADHM COC(=O)Cc1n[n-]c(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)n1 ZINC001293874577 1066385832 /nfs/dbraw/zinc/38/58/32/1066385832.db2.gz MLZQVAYAZNAJNV-CQSZACIVSA-N -1 3 457.409 2.744 20 0 JFADHM COC(=O)Cc1nc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)n[n-]1 ZINC001293874577 1066385842 /nfs/dbraw/zinc/38/58/42/1066385842.db2.gz MLZQVAYAZNAJNV-CQSZACIVSA-N -1 3 457.409 2.744 20 0 JFADHM C[C@@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)CN1CCOCC1 ZINC001293933231 1066413433 /nfs/dbraw/zinc/41/34/33/1066413433.db2.gz QXUKTHWUQQRZKI-INIZCTEOSA-N -1 3 451.976 2.839 20 0 JFADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC(=O)Nc4cnccc43)c2)cc1 ZINC001294041509 1066517646 /nfs/dbraw/zinc/51/76/46/1066517646.db2.gz FPHAJSHCZILUAZ-UHFFFAOYSA-N -1 3 452.492 2.798 20 0 JFADHM COC(=O)CCN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CCOCC1 ZINC001294041422 1066517743 /nfs/dbraw/zinc/51/77/43/1066517743.db2.gz ZIXSTIPKMSQCQH-QFIPXVFZSA-N -1 3 454.523 2.824 20 0 JFADHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H](CN3CCOCC3)C2)c1 ZINC001294091309 1066562185 /nfs/dbraw/zinc/56/21/85/1066562185.db2.gz NMHLQPGVZGKOMF-FQEVSTJZSA-N -1 3 457.596 2.899 20 0 JFADHM CN(C)[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)c1ccccc1 ZINC000016599037 563013144 /nfs/dbraw/zinc/01/31/44/563013144.db2.gz WFRDPVULDZOQDH-JOCHJYFZSA-N -1 3 479.562 2.690 20 0 JFADHM O=C(NCCc1ccccc1)[C@]12COC[C@@H]1CN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164855684 720816717 /nfs/dbraw/zinc/81/67/17/720816717.db2.gz XZXWEJSFOUELKD-IFXJQAMLSA-N -1 3 454.930 2.775 20 0 JFADHM COc1ccc(CN2C(=O)CO[C@H]3CN(C(F)(F)c4cc(Cl)nc(=S)[n-]4)C[C@@H]32)cc1 ZINC001165026530 721796070 /nfs/dbraw/zinc/79/60/70/721796070.db2.gz ZLASYRHMZSGVGJ-KBPBESRZSA-N -1 3 456.902 2.588 20 0 JFADHM Cc1nc(CN2CCOC[C@]3(CN(C(F)(F)c4cc(Cl)nc(=S)[n-]4)CCO3)C2)cs1 ZINC001164920343 721830843 /nfs/dbraw/zinc/83/08/43/721830843.db2.gz CJVPLECAYHGZJZ-QGZVFWFLSA-N -1 3 477.990 2.836 20 0 JFADHM COc1ccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)cc1Br ZINC001265087870 1059763975 /nfs/dbraw/zinc/76/39/75/1059763975.db2.gz HCRUQKJUGNKFEE-UHFFFAOYSA-N -1 3 451.321 2.670 20 0 JFADHM COc1ccc(CN2CC[C@@H]([N-]C(=O)C(F)(F)c3ncccc3Br)C2=O)cc1 ZINC001265412338 1059849219 /nfs/dbraw/zinc/84/92/19/1059849219.db2.gz DJUCURUHQCWDKW-OAHLLOKOSA-N -1 3 454.271 2.862 20 0 JFADHM COC(=O)c1cc2nc(NC(=O)C3CN(C(=O)OC(C)(C)C)C3)[n-]c2c(Br)c1 ZINC001304984787 1060016594 /nfs/dbraw/zinc/01/65/94/1060016594.db2.gz AMKOZSREKOHGSI-UHFFFAOYSA-N -1 3 453.293 2.917 20 0 JFADHM COC(=O)c1cc2nc(NC(=O)[C@@H]3CN(C)C(=O)c4ccccc43)[n-]c2c(Br)c1 ZINC001289668684 1061289346 /nfs/dbraw/zinc/28/93/46/1061289346.db2.gz WWMASZGJFHULLE-CYBMUJFWSA-N -1 3 457.284 2.920 20 0 JFADHM Cc1cccc(-c2nnc(N3CCN(C(=O)c4ccccc4[O-])CC3)n2CCCOCC(F)F)n1 ZINC001289979920 1061700280 /nfs/dbraw/zinc/70/02/80/1061700280.db2.gz QHLVVXXEDUCKAI-UHFFFAOYSA-N -1 3 486.523 2.988 20 0 JFADHM C[C@@H](CC(=O)N1CC(OCCCc2ccccc2)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001294232681 1061748843 /nfs/dbraw/zinc/74/88/43/1061748843.db2.gz BNCOFYJAWAFHPO-INIZCTEOSA-N -1 3 451.976 2.652 20 0 JFADHM CC(C)(C)Cc1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001287031900 1061985750 /nfs/dbraw/zinc/98/57/50/1061985750.db2.gz GCDCBVKRRKFFRP-SFHVURJKSA-N -1 3 463.529 2.959 20 0 JFADHM CSCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](C)c1ncc[nH]1 ZINC001306847432 1062078030 /nfs/dbraw/zinc/07/80/30/1062078030.db2.gz ONUUKUSDBFFSTK-GXFFZTMASA-N -1 3 451.401 2.994 20 0 JFADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC001294564803 1062082042 /nfs/dbraw/zinc/08/20/42/1062082042.db2.gz WPEJDGCHUQAUQB-XMSQKQJNSA-N -1 3 451.479 2.906 20 0 JFADHM CN1C(=O)C[C@@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001294673953 1062232713 /nfs/dbraw/zinc/23/27/13/1062232713.db2.gz WWOLHUFBFJHWGH-DYESRHJHSA-N -1 3 459.905 2.689 20 0 JFADHM CC(C)C(=O)NCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001287130472 1062415928 /nfs/dbraw/zinc/41/59/28/1062415928.db2.gz QTSPLDGNPVSPGJ-UHFFFAOYSA-N -1 3 470.618 2.697 20 0 JFADHM CC(C)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001287140043 1062492380 /nfs/dbraw/zinc/49/23/80/1062492380.db2.gz SSTFFTIRMVVNIK-UHFFFAOYSA-N -1 3 468.602 2.864 20 0 JFADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001290635791 1062516732 /nfs/dbraw/zinc/51/67/32/1062516732.db2.gz BZRFWKJLFQXVHC-MRXNPFEDSA-N -1 3 454.552 2.696 20 0 JFADHM Cc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001290851400 1062734942 /nfs/dbraw/zinc/73/49/42/1062734942.db2.gz JNXAVBPCWJLIRA-UHFFFAOYSA-N -1 3 463.586 2.975 20 0 JFADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001290874964 1062759576 /nfs/dbraw/zinc/75/95/76/1062759576.db2.gz FPCWXRNHYRDUMF-UHFFFAOYSA-N -1 3 459.293 2.567 20 0 JFADHM CC(C)Cc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCCOC[C@@H]1CCCO1 ZINC001287462885 1062903824 /nfs/dbraw/zinc/90/38/24/1062903824.db2.gz UICXKQDRSHGSCX-FQEVSTJZSA-N -1 3 471.602 2.730 20 0 JFADHM CN(CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(=O)OC(C)(C)C ZINC001295111180 1062934745 /nfs/dbraw/zinc/93/47/45/1062934745.db2.gz PJYGCIWANMVOBM-UHFFFAOYSA-N -1 3 454.524 2.894 20 0 JFADHM C[C@H](CO[N-]C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NC(=O)OC(C)(C)C ZINC001295154333 1062976230 /nfs/dbraw/zinc/97/62/30/1062976230.db2.gz GGFDOBJHJNIWTC-IUODEOHRSA-N -1 3 454.911 2.506 20 0 JFADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC001295518176 1063554771 /nfs/dbraw/zinc/55/47/71/1063554771.db2.gz BYFLCOHYJLOYMH-INIZCTEOSA-N -1 3 454.545 2.632 20 0 JFADHM CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCN1CCOCC1(C)C ZINC001291578949 1064105640 /nfs/dbraw/zinc/10/56/40/1064105640.db2.gz HZUVIPJEEZZAFF-LJQANCHMSA-N -1 3 470.618 2.570 20 0 JFADHM C[C@H](CC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001291691451 1064218733 /nfs/dbraw/zinc/21/87/33/1064218733.db2.gz FHBIVHDLFQJRCY-CYBMUJFWSA-N -1 3 452.964 2.959 20 0 JFADHM 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CCC[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CCN1Cc1ccccc1 ZINC001295599945 1063644973 /nfs/dbraw/zinc/64/49/73/1063644973.db2.gz CSIAGJAKFVNBQV-GOSISDBHSA-N -1 3 451.539 2.756 20 0 JFADHM COCC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccc(C)o1 ZINC001295792455 1063790173 /nfs/dbraw/zinc/79/01/73/1063790173.db2.gz PWXZIFHUZWYNIX-NSHDSACASA-N -1 3 451.364 2.584 20 0 JFADHM COc1cc(C(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)cc(OC)c1[O-] ZINC001295862855 1063895561 /nfs/dbraw/zinc/89/55/61/1063895561.db2.gz RLHIKDQDIOQNTJ-UHFFFAOYSA-N -1 3 452.504 2.522 20 0 JFADHM CC[C@H](C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001291392045 1063942742 /nfs/dbraw/zinc/94/27/42/1063942742.db2.gz RPRGTXPVQDLMTE-AVRWGWEMSA-N -1 3 464.570 2.805 20 0 JFADHM CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1CCNC(=O)c1cccs1 ZINC001291578893 1064105219 /nfs/dbraw/zinc/10/52/19/1064105219.db2.gz HBCDULRRFYXYPR-KRWDZBQOSA-N -1 3 482.610 2.951 20 0 JFADHM 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